1-[2-(4-ethoxy-2,3-difluorophenyl)ethynyl]-2,3-difluoro-4-[(1s,4r)-4-pentylcyclohexyl]benzene

1-[2-(4-ethoxy-2,3-difluorophenyl)ethynyl]-2,3-difluoro-4-[(1s,4r)-4-pentylcyclohexyl]benzene

CAS: 928208-51-9

Formula: C27H30F4O

SMILES: CCCCC[C@H]1CC[C@@H](CC1)C1=CC=C(C#CC2=CC=C(OCC)C(F)=C2F)C(F)=C1F

IUPAC: 1-[2-(4-ethoxy-2,3-difluorophenyl)ethynyl]-2,3-difluoro-4-[(1s,4r)-4-pentylcyclohexyl]benzene

InChI: InChI=1/C27H30F4O/c1-3-5-6-7-18-8-10-19(11-9-18)22-16-14-20(24(28)26(22)30)12-13-21-15-17-23(32-4-2)27(31)25(21)29/h14-19H,3-11H2,1-2H3/t18-,19-

Composition: C (72.63%), H (6.77%), F (17.02%), O (3.58%)

Molar Mass: 446.53

Atom Count: 62

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	446.223278238
Formal Charge	0
FSP3	0.48
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	HUOASQITFHLADB-WGSAOQKQNA-N
Lipinski's Rule of Five
Molar Refractivity	115.12
Topological Polar Surface Area	9.23
Polarizability	44.97
Ring Count	3
Rotatable Bond Count	9

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	928208-51-9		$17.65-$210.59$17.65$61.79$210.59